| SpectraBase Compound ID | 1t4UOmt21uD |
|---|---|
| InChI | InChI=1S/C16H30O3/c1-5-6-11-14(17)12-9-7-8-10-13-19-15(18)16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | NUBZTASZNBZSOZ-UHFFFAOYSA-N |
| Mol Weight | 270.41 g/mol |
| Molecular Formula | C16H30O3 |
| Exact Mass | 270.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ADrDeHHoZJB |
|---|---|
| Name | 7-Oxoundecyl pivalate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.219494823 u |
| Formula | C16H30O3 |
| InChI | InChI=1S/C16H30O3/c1-5-6-11-14(17)12-9-7-8-10-13-19-15(18)16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | NUBZTASZNBZSOZ-UHFFFAOYSA-N |
| Molecular Weight | 270.413 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCCCCCCC(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831027 |